3-Chloro-4-methylbenzaldehyde - CAS 3411-03-8
Catalog: |
BB021967 |
Product Name: |
3-Chloro-4-methylbenzaldehyde |
CAS: |
3411-03-8 |
Synonyms: |
3-chloro-4-methylbenzaldehyde |
IUPAC Name: | 3-chloro-4-methylbenzaldehyde |
Description: | 3-Chloro-4-methylbenzaldehyde (CAS# 3411-03-8) is a useful research chemical. |
Molecular Weight: | 154.59 |
Molecular Formula: | C8H7ClO |
Canonical SMILES: | CC1=C(C=C(C=C1)C=O)Cl |
InChI: | InChI=1S/C8H7ClO/c1-6-2-3-7(5-10)4-8(6)9/h2-5H,1H3 |
InChI Key: | OJFQNFVCICBYQC-UHFFFAOYSA-N |
Boiling Point: | 231.9 °C at 760 mmHg |
Melting Point: | 27-31 °C (lit.) |
Purity: | 95 % |
Density: | 1.195 g/cm3 |
MDL: | MFCD06411284 |
LogP: | 2.46090 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021253565-A1 | Monoacylglycerol lipase modulators | 20200210 |
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Complexity: | 124 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.0185425 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.0185425 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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